propyl 3-[(3E)-5-tert-butyl-3-(5-chloranyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate

Systemtic Name: propyl 3-[(3E)-5-tert-butyl-3-(5-chloranyl-1,2-dihydrobenzotriazol-4-ylidene)-4-oxidanylidene-cyclohexa-1,5-dien-1-yl]propanoate Openeye Name: propyl 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-cyclohexa-1,5-dien-1-yl]propanoate CAS Name: 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxo-1-cyclohexa-1,5-dienyl]propanoic acid propyl ester IUPAC Name: propyl 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]propanoate Traditional Name: 3-[(3E)-5-tert-butyl-3-(5-chloro-1,2-dihydrobenzotriazol-4-ylidene)-4-keto-cyclohexa-1,5-dien-1-yl]propionic acid propyl ester Formula: C22H26ClN3O3 MolecularWeight: 415.91314

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC1=CC(=C2C(=CC=C3C2=NNN3)Cl)C(=O)C(=C1)C(C)(C)C

Isomeric SMILES

CCCOC(=O)CCC1=C/C(=C/2\C(=CC=C3C2=NNN3)Cl)/C(=O)C(=C1)C(C)(C)C

InChI

InChI=1S/C22H26ClN3O3/c1-5-10-29-18(27)9-6-13-11-14(21(28)15(12-13)22(2,3)4)19-16(23)7-8-17-20(19)25-26-24-17/h7-8,11-12,24,26H,5-6,9-10H2,1-4H3/b19-14-